| SpectraBase Spectrum ID |
LgkJgJ5bUAs |
| Name |
6-Azaandrosta-4-ene-7,17-dione |
| Alternate Name(s) |
(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,5,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-1,4(3bH)-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25NO2 |
| InChI |
InChI=1S/C18H25NO2/c1-17-9-4-3-5-13(17)19-16(21)15-11-6-7-14(20)18(11,2)10-8-12(15)17/h5,11-12,15H,3-4,6-10H2,1-2H3,(H,19,21)/t11-,12-,15-,17+,18-/m0/s1 |
| InChIKey |
MBLSBYWPLOXHMJ-RODMYYSUSA-N |
| Molecular Weight |
287.403 g/mol |
| SMILES |
N1C=2[C@@]([C@@]3([C@@](C1=O)([C@]1([C@](CC3)(C(CC1)=O)C)[H])[H])[H])(CCCC2)C |
| SPLASH |
splash10-001i-9000000000-7383b3126e6a058d4a5c |
| Source of Spectrum |
H1-38-1058-11 |
| Wiley ID |
756260 |
